EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168335 - 3,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one

ChEBI IDCHEBI:168335
ChEBI Name3,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O6
Net Charge0
Average Mass278.260
Monoisotopic Mass278.07904
SMILESCC(C)(O)C1Oc2c(cc3ccc(=O)oc3c2O)C1O
InChIInChI=1S/C14H14O6/c1-14(2,18)13-9(16)7-5-6-3-4-8(15)19-11(6)10(17)12(7)20-13/h3-5,9,13,16-18H,1-2H3
InChIKeyCKIXYKXOOJINJX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one (CHEBI:168335) is a psoralens (CHEBI:26369)
IUPAC Name 
3,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
74853049ChemSpider
HMDB0132920HMDB